tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate

C32H32N2O3 — CID 67756635

IUPACtert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate
SMILESCCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C32H32N2O3/c1-5-10-30-33-27-19-24-11-6-7-12-25(24)20-28(27)34(30)21-22-15-17-23(18-16-22)26-13-8-9-14-29(26)36-31(35)37-32(2,3)4/h6-9,11-20H,5,10,21H2,1-4H3
InChIKeyHACPMXHNZCFYGR-UHFFFAOYSA-N
MW492.62 g/mol
LogP8.17
Rot. Bonds6

About tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate

tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate (PubChem CID 67756635) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate.

Molecular Properties

Compound Nametert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate
PubChem CID67756635
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Nametert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate
SMILESCCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C32H32N2O3/c1-5-10-30-33-27-19-24-11-6-7-12-25(24)20-28(27)34(30)21-22-15-17-23(18-16-22)26-13-8-9-14-29(26)36-31(35)37-32(2,3)4/h6-9,11-20H,5,10,21H2,1-4H3
InChIKeyHACPMXHNZCFYGR-UHFFFAOYSA-N
XLogP8.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

tert-butyl [2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]phenyl] carbonate
CID 67756422
tert-butyl [2-[4-[[5,6-dimethoxy-2-(3-methylbutyl)benzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 67756829
[2-[4-[[6-[butanoyl(pentyl)amino]-2-butylbenzimidazol-1-yl]methyl]phenyl]phenyl] tert-butyl carbonate
CID 67757411
tert-butyl [2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 69115483
tert-butyl [2-[4-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 67756197
tert-butyl [2-[4-[[6-(dimethylcarbamoylamino)-5-methyl-2-propylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]phenyl] carbonate
CID 67910099
tert-butyl [2-[4-[[2-butyl-6-(cyclopentanecarbonylamino)benzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 67755933
tert-butyl [2-[4-[[2-(cyclohexylmethyl)-5,6-dimethoxybenzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 67755969
tert-butyl [2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]phenyl] carbonate
CID 67755920
tert-butyl [2-[4-[[4-methyl-6-[(2-methyl-4-oxopentan-3-yl)carbamoyl]-2-propylbenzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 67881313
tert-butyl [2-[4-[[2-butyl-5-(butylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] carbonate
CID 67910163
tert-butyl [2-[4-[[2-butyl-6-(1,3-dioxoisoindol-2-yl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] carbonate
CID 67909999

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate?
The IUPAC name of tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate (CID 67756635) is tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate.
What is the SMILES notation for tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate?
The canonical SMILES for tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate is CCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate?
The InChIKey is HACPMXHNZCFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-5-10-30-33-27-19-24-11-6-7-12-25(24)20-28(27)34(30)21-22-15-17-23(18-16-22)26-13-8-9-14-29(26)36-31(35)37-32(2,3)4/h6-9,11-20H,5,10,21H2,1-4H3.
What are the key properties of tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate?
tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate has a molecular weight of 492.62 g/mol, XLogP of 8.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]phenyl] carbonate is sourced from PubChem (CID 67756635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).